2-hydroxybenzoic acid;octyl nitrite

C15H23NO5 — CID 160599086

IUPAC2-hydroxybenzoic acid;octyl nitrite
SMILESCCCCCCCCON=O.O=C(O)c1ccccc1O
InChIInChI=1S/C8H17NO2.C7H6O3/c1-2-3-4-5-6-7-8-11-9-10;8-6-4-2-1-3-5(6)7(9)10/h2-8H2,1H3;1-4,8H,(H,9,10)
InChIKeyREAMPWBYUBDYPB-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.14
Rot. Bonds9

About 2-hydroxybenzoic acid;octyl nitrite

2-hydroxybenzoic acid;octyl nitrite (PubChem CID 160599086) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-hydroxybenzoic acid;octyl nitrite.

Molecular Properties

Compound Name2-hydroxybenzoic acid;octyl nitrite
PubChem CID160599086
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-hydroxybenzoic acid;octyl nitrite
SMILESCCCCCCCCON=O.O=C(O)c1ccccc1O
InChIInChI=1S/C8H17NO2.C7H6O3/c1-2-3-4-5-6-7-8-11-9-10;8-6-4-2-1-3-5(6)7(9)10/h2-8H2,1H3;1-4,8H,(H,9,10)
InChIKeyREAMPWBYUBDYPB-UHFFFAOYSA-N
XLogP4.14
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

docosane;2-hydroxybenzoic acid
CID 161423500
docosyl 2-hydroxybenzoate;2-hydroxybenzoic acid
CID 67727649
1-butoxybutane;2-hydroxybenzoic acid
CID 160692059
butan-1-amine;2-hydroxybenzoic acid
CID 173067655
decane;phthalic acid
CID 158763790
hexyl 2-hydroxybenzoate
CID 22629
hexacosyl 2-hydroxybenzoate
CID 19044965
icosyl 2-hydroxybenzoate
CID 19044963
2-dodecoxy-1,1-dimethoxyethanamine;2-hydroxybenzoic acid
CID 173393601
hexadecyl(trimethyl)azanium;2-hydroxybenzoic acid;bromide
CID 67301820
sodium;2-hydroxybenzoic acid;octadecan-1-one
CID 174913816
2-carboxyphenolate;tetracosyl 2-hydroxybenzoate
CID 54696522

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzoic acid;octyl nitrite?
The IUPAC name of 2-hydroxybenzoic acid;octyl nitrite (CID 160599086) is 2-hydroxybenzoic acid;octyl nitrite.
What is the SMILES notation for 2-hydroxybenzoic acid;octyl nitrite?
The canonical SMILES for 2-hydroxybenzoic acid;octyl nitrite is CCCCCCCCON=O.O=C(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzoic acid;octyl nitrite?
The InChIKey is REAMPWBYUBDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C7H6O3/c1-2-3-4-5-6-7-8-11-9-10;8-6-4-2-1-3-5(6)7(9)10/h2-8H2,1H3;1-4,8H,(H,9,10).
What are the key properties of 2-hydroxybenzoic acid;octyl nitrite?
2-hydroxybenzoic acid;octyl nitrite has a molecular weight of 297.35 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzoic acid;octyl nitrite is sourced from PubChem (CID 160599086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).